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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00053725

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.7
B2FPHENYLALANINE BORONIC ACIDA,P1P060.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.7
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.7
PVS(ethenylsulfonyl)benzeneA3BLU0.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.82
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.73
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.72
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.7
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.7
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2G720.71
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2OPB0.71
SMLPHENYL METHYL SULFONEA,I1D6W0.73
SMLPHENYL METHYL SULFONEA,I1D9I0.73
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.72
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.76
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.76
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.76
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.76
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.78
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.77
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.77
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.8
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.75
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.74
MAJindane-5-sulfonamideA2QOA0.71
TOSP-SULFINOTOLUENEH1ETT0.72
TOSP-SULFINOTOLUENEI4PAD0.72
TOSP-SULFINOTOLUENEA1EST0.72
TOSP-SULFINOTOLUENEC,G2CHA0.72
TOSP-SULFINOTOLUENEE1PPH0.72
BCSBENZYLCYSTEINEA,B,G,H10GS0.72
BCSBENZYLCYSTEINEA1EH80.72
TSUPARA-TOLUENE SULFONATEA,B1WUW0.73
TSUPARA-TOLUENE SULFONATEA1B0D0.73